N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C18H15ClN4O3S2 — CID 42353144

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H15ClN4O3S2/c19-14-3-1-2-12(8-14)9-15-10-20-18(27-15)21-17(24)13-4-5-16-22-28(25,26)7-6-23(16)11-13/h1-5,8,10-11H,6-7,9H2,(H,20,21,24)
InChIKeyZOOXVNKUKSBCRH-UHFFFAOYSA-N
MW434.93 g/mol
LogP2.82
Rot. Bonds4

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 42353144) has the molecular formula C18H15ClN4O3S2 and a molecular weight of 434.93 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID42353144
Molecular FormulaC18H15ClN4O3S2
Molecular Weight434.93 g/mol
Exact Mass434.03
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C18H15ClN4O3S2/c19-14-3-1-2-12(8-14)9-15-10-20-18(27-15)21-17(24)13-4-5-16-22-28(25,26)7-6-23(16)11-13/h1-5,8,10-11H,6-7,9H2,(H,20,21,24)
InChIKeyZOOXVNKUKSBCRH-UHFFFAOYSA-N
XLogP2.82
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 42353144) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is ZOOXVNKUKSBCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3S2/c19-14-3-1-2-12(8-14)9-15-10-20-18(27-15)21-17(24)13-4-5-16-22-28(25,26)7-6-23(16)11-13/h1-5,8,10-11H,6-7,9H2,(H,20,21,24).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 42353144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).